SEQ2FUN

BioLiP

PDB CCD ID: 2LX
Number of entries in BioLiP: 2
Chemical formula: C13 H17 N O3
InChI: InChI=1S/C13H17NO3/c1-14-13(15)11-4-2-3-5-12(11)17-10-6-8-16-9-7-10/h2-5,10H,6-9H2,1H3,(H,14,15)
InChIKey: WZBIMVSWUWZIHN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(c2c(OC1CCOCC1)cccc2)NC
CACTVS 3.385
OpenEye OEToolkits 1.7.6		CNC(=O)c1ccccc1OC2CCOCC2
Name:N-methyl-2-(tetrahydro-2H-pyran-4-yloxy)benzamide
ChEMBL: CHEMBL3110243
ZINC: ZINC000013466605
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).